SP 111A
TL;DR: SP 111A (CAS 51278-97-8) is a chemical compound with molecular formula C29H44BrNO4 and molecular weight 549.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6aR,10aR)-6,6,9-trimethyl-10a-pentan-3-yl-7,8-dihydro-6aH-benzo[c]chromen-1-yl] 4-morpholin-4-ylbutanoate;hydrobromide
Also Known As: SP 111A, 6H-Dibenzo(b,d)pyran, 4-morpholinebutanoic acid deriv, (6aR,10aR)-6,6,9-Trimethyl-10a-(pentan-3-yl)-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-yl 4-(morpholin-4-yl)butanoate--hydrogen bromide (1/1), (6ar-trans)-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-dibenzo(b,d)pyran-1-yl 4-morpholinebutanoate hydrobromide, [(6aR,10aR)-6,6,9-trimethyl-10a-pentan-3-yl-7,8-dihydro-6aH-benzo[c]chromen-1-yl] 4-morpholin-4-ylbutanoate hydrobromide
| Molecular Formula | C29H44BrNO4 |
|---|---|
| Molecular Weight | 549.25 g/mol |
| LogP | 6.4836 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 549.24536 |
| Heavy Atoms | 35 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 51278-97-8 |
|---|---|
| SMILES | CCC(CC)[C@@]12C=C(CC[C@H]1C(OC3=C2C(=CC=C3)OC(=O)CCCN4CCOCC4)(C)C)C.Br |
| InChIKey | GWMZPWMXUFYCIR-YDIGKXNDSA-N |
Product Overview
SP 111A (CAS 51278-97-8), with molecular formula C29H44BrNO4 and molecular weight 549.25 g/mol. IUPAC: [(6aR,10aR)-6,6,9-trimethyl-10a-pentan-3-yl-7,8-dihydro-6aH-benzo[c]chromen-1-yl] 4-morpholin-4-ylbutanoate;hydrobromide.
Chemical Property Profile of SP 111A
Property Insights of SP 111A
The XLogP value of 6.4836 indicates that SP 111A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, SP 111A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SP 111A has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SP 111A?
The CAS number of SP 111A is 51278-97-8.
What is the molecular formula of SP 111A?
The molecular formula of SP 111A is C29H44BrNO4.
What is the molecular weight of SP 111A?
The molecular weight of SP 111A is 549.25 g/mol.
Where can I buy SP 111A?
You can request a quote for SP 111A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SP 111A?
Yes, KEHONG BIO provides custom synthesis services for SP 111A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.